SCHEMBL4082002

SCHEMBL4082002

COc1ccc(-c2sc(NC(N)=O)c(C(N)=O)c2C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.52
CHEK1 O14757 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
RECQL P46063 1/20 0.43
IKBKB O14920 1/20 0.39
GRM6 O15303 1/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4082574 0.88 FLT3 (0.50) FLT3CHEK1KMT2AMEN1RECQL
SCHEMBL1382105 0.83 FLT3 (0.48) FLT3CHEK1KMT2AMEN1RECQL
SCHEMBL1381277 0.83 CHEK1 (0.56) FLT3CHEK1KMT2AMEN1IKBKB
SCHEMBL1385001 0.81 IKBKB (0.56) FLT3CHEK1KMT2AIKBKBGRM6
SCHEMBL1386289 0.80 CHEK1 (0.47) FLT3CHEK1KMT2AMEN1IKBKB
SCHEMBL1382766 0.79 KIF11 (0.49) FLT3KMT2AMEN1IKBKBGRM6
SCHEMBL1384162 0.79 KDM4E (0.43) FLT3CHEK1KMT2AMEN1IKBKB
SCHEMBL1382924 0.78 ALDH1A1 (0.43) FLT3CHEK1KMT2AMEN1IKBKB
SCHEMBL1383438 0.78 ALDH1A1 (0.47) FLT3CHEK1KMT2AMEN1IKBKB
SCHEMBL27521971 0.78 FLT3 (0.48) FLT3KMT2AMEN1IKBKBGRM6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US claimed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP claimed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US claimed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT FLT3 191/4885CHEK1 2784/4885KMT2A 1270/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 FLT3 323/4885CHEK1 3060/4885KMT2A 864/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB FLT3 995/4885CHEK1 1097/4885KMT2A 2376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.